BDBM50326497 4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxyphenyl)amino]carbonyl]-1, 4-phenylene]bis(methyleneoxy)]bis[alpha-oxobenzeneacetic acid]::CHEMBL1240789

SMILES: OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1

InChI Key: InChIKey=JJANBXHKBYNLKS-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50326497   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Secreted effector protein (Yersinia pestis)	BDBM50326497 (4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YOpH				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM50326497 (4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of HePTP				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50326497 (4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of TCPTP				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50326497 (4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
					More data for this Ligand-Target Pair